4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one

C14H21NO — CID 155373964

IUPAC4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one
SMILESCCCN1C(=O)CC(C)(C)C2=CCCC=C21
InChIInChI=1S/C14H21NO/c1-4-9-15-12-8-6-5-7-11(12)14(2,3)10-13(15)16/h7-8H,4-6,9-10H2,1-3H3
InChIKeySAEBEKNQWADHOB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.26
Rot. Bonds2

About 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one

4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one (PubChem CID 155373964) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one.

Molecular Properties

Compound Name4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one
PubChem CID155373964
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one
SMILESCCCN1C(=O)CC(C)(C)C2=CCCC=C21
InChIInChI=1S/C14H21NO/c1-4-9-15-12-8-6-5-7-11(12)14(2,3)10-13(15)16/h7-8H,4-6,9-10H2,1-3H3
InChIKeySAEBEKNQWADHOB-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one?
The IUPAC name of 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one (CID 155373964) is 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one.
What is the SMILES notation for 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one?
The canonical SMILES for 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one is CCCN1C(=O)CC(C)(C)C2=CCCC=C21.
What is the InChIKey of 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one?
The InChIKey is SAEBEKNQWADHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-9-15-12-8-6-5-7-11(12)14(2,3)10-13(15)16/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one?
4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-propyl-6,7-dihydro-3H-quinolin-2-one is sourced from PubChem (CID 155373964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).